1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone

C14H20O4 — CID 113388904

IUPAC1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone
SMILESCCCOCCOc1cccc(OC)c1C(C)=O
InChIInChI=1S/C14H20O4/c1-4-8-17-9-10-18-13-7-5-6-12(16-3)14(13)11(2)15/h5-7H,4,8-10H2,1-3H3
InChIKeyZVHURSZGKGKUSC-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.70
Rot. Bonds8

About 1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone

1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone (PubChem CID 113388904) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone
PubChem CID113388904
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone
SMILESCCCOCCOc1cccc(OC)c1C(C)=O
InChIInChI=1S/C14H20O4/c1-4-8-17-9-10-18-13-7-5-6-12(16-3)14(13)11(2)15/h5-7H,4,8-10H2,1-3H3
InChIKeyZVHURSZGKGKUSC-UHFFFAOYSA-N
XLogP2.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone
CID 106202167
1-[2,6-bis(hydroxymethoxy)phenyl]ethanone
CID 69072315
2,6-dipropoxybenzoyl iodide
CID 19912030
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 143391101
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
1-[2-hydroxy-6-(3-methylpentoxy)phenyl]ethanone
CID 163755781
1-[2-(2-hexoxyethoxy)phenyl]ethanone
CID 43793758
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine
CID 106449857
2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone?
The IUPAC name of 1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone (CID 113388904) is 1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone is CCCOCCOc1cccc(OC)c1C(C)=O.
What is the InChIKey of 1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone?
The InChIKey is ZVHURSZGKGKUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-8-17-9-10-18-13-7-5-6-12(16-3)14(13)11(2)15/h5-7H,4,8-10H2,1-3H3.
What are the key properties of 1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone?
1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone has a molecular weight of 252.31 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone is sourced from PubChem (CID 113388904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).